Basic information
- CAS
14370-23-1- Standard SMILES
S=C=NC1CC2CCC1C2- InChIKey
RBGDFYZLQKZUCO-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
- Monoisotopic mass
- 153.06122053
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]hept-2-yl isothiocyanate
- IUPAC
- 2-isothiocyanatobicyclo[2.2.1]heptane
- English name
- 2-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPTANE
- Molecular formula
- C8H11NS
- Molecular weight
- 153.24
Names & synonyms
14370-23-1Bicyclo[2.2.1]hept-2-yl isothiocyanateBicyclo(2.2.1)hept-2-yl isothiocyanateRefChem:568088604-375-72-Isothiocyanatobicyclo[2.2.1]heptane2-Isothiocyanato-bicyclo[2.2.1]heptane18530-33-1MFCD00673182EXO-BICYCLO[2.2.1]HEPT-2-YL ISOTHIOCYANATEBicyclo[2.2.1]heptane, 2-isothiocyanato-exo-Bicyclo(2.2.1)hept-2-yl isothiocyanate
Show more names
exoexo-2-Norbornylisothiocyanate3-isothiocyanatobicyclo[2.2.1]heptane
Bicyclo[2.2.1]heptane, 2-isothiocyanato-, exo-(1S,2S,4R)-2-isothiocyanatobicyclo[2.2.1]heptanebicyclo[2.2.1]heptan-2-isothiocyanate2-isothiocyanatonorbornaneEINECS 242-405-7SCHEMBL1538266SBB056377AKOS000120811
Database identifiers
- CAS
14370-23-1、18530-33-1- PubChem CID
- 86759
- DTXSID
DTXSID30939955- EC Number
- 242-405-7、604-375-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 27 · 27-30 °C(lit.)
- Boiling point
- 81 · 81-83 °C2 mm Hg(lit.)
- refractive index
- 20 · n20/D 1.553(lit.)
- Flash point
- 226 °F · 226 °F
- storage temp.
- 0 · Store at 0-8 °C
- InChI
- 1S/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2/t6-,7+,8+/m1/s1
- InChIKey
- RBGDFYZLQKZUCO-CSMHCCOUSA-N
- SMILES
- [H][C@@]12CC[C@@]([H])(C1)[C@H](C2)N=C=S
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 1759 8/PG 2
- hs_code
- 2930909899
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Usesexo-2-Norbornylisothiocyanate can be formed by the isomerization of exo-2-norbornylthiocyanate, which proceeds through the formation of non-classical ion.
General Descriptionexo-2-Norbornylisothiocyanate can be formed by the isomerization of exo-2-norbornylthiocyanate, which proceeds through the formation of non-classical ion.
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…